4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene

C7H8N2 — CID 174141094

IUPAC4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene
SMILESCC1=CCC=C=N/C=N\1
InChIInChI=1S/C7H8N2/c1-7-4-2-3-5-8-6-9-7/h3-4,6H,2H2,1H3/b7-4?,9-6-
InChIKeyMMGCWNOAKLYDOD-RNYFEARVSA-N
MW120.15 g/mol
LogP1.55
Rot. Bonds

About 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene

4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene (PubChem CID 174141094) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene.

Molecular Properties

Compound Name4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene
PubChem CID174141094
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene
SMILESCC1=CCC=C=N/C=N\1
InChIInChI=1S/C7H8N2/c1-7-4-2-3-5-8-6-9-7/h3-4,6H,2H2,1H3/b7-4?,9-6-
InChIKeyMMGCWNOAKLYDOD-RNYFEARVSA-N
XLogP1.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
CID 91157005
CID 91157005
4-Ethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 91157006
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325
N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123377787
N'-pent-2-en-2-ylmethanimidamide
CID 123817871
N-ethylidene-N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 143449311
ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 145116714
N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 145116715
N'-hex-3-en-3-ylmethanimidamide
CID 146200223
N-methylidene-N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
CID 146221330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene?
The IUPAC name of 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene (CID 174141094) is 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene.
What is the SMILES notation for 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene?
The canonical SMILES for 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene is CC1=CCC=C=N/C=N\1.
What is the InChIKey of 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene?
The InChIKey is MMGCWNOAKLYDOD-RNYFEARVSA-N. The full InChI is InChI=1S/C7H8N2/c1-7-4-2-3-5-8-6-9-7/h3-4,6H,2H2,1H3/b7-4?,9-6-.
What are the key properties of 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene?
4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene has a molecular weight of 120.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-diazacycloocta-2,4,7,8-tetraene is sourced from PubChem (CID 174141094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).